| CAS Number | 128145-39-1 |
| Catalog Number | AG000XTP(AGN-PC-001OCP) |
| Chemical Name | 2-{[(Propan-2-yl)amino]methyl}aniline |
| IUPAC Name | 2-[(propan-2-ylamino)methyl]aniline |
| InChI | InChI=1S/C10H16N2/c1-8(2)12-7-9-5-3-4-6-10(9)11/h3-6,8,12H,7,11H2,1-2H3 |
| InChI Key | LMZQLDWKPXNCJR-UHFFFAOYSA-N |
| MDL Number | MFCD14597925 |
| Molecular Formula | C10H16N2 |
| Molecular Weight | 164.2474 |
| SMILES | CC(NCC1=C(N)C=CC=C1)C |
| Synonyms | 128145-39-1,
2-{[(Propan-2-yl)amino]methyl}aniline,
2-(isopropylaminomethyl)aniline,
2-((Isopropylamino)methyl)aniline,
Benzenemethanamine, 2-amino-N-(1-methylethyl)-,
ACMC-20msqh,
SCHEMBL8315749,
CTK0C1767,
DTXSID50560962,
LMZQLDWKPXNCJR-UHFFFAOYSA-N,
ZINC34305374,
AKOS010461801,
2-amino-N-(1-methylethyl)-benzylamine,
2-[(propan-2-ylamino)methyl]aniline,
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| Complexity | 123 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.252g/mol |
| Monoisotopic Mass | 164.131g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number